SCHEMBL639621

SCHEMBL639621

CC(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)OC(=O)C(C)(C)C.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
BCHE P06276 1/20 0.36
LIPE Q05469 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL636260 0.89 ELANE (0.40) ELANETAAR1KMT2ATDP1SMN1; SMN2
SCHEMBL640972 0.88 TAAR1 (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL637521 0.87 ELANE (0.40) ELANETAAR1KMT2ATDP1ALDH1A1
SCHEMBL2231584 0.86 TAAR1 (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL917452 0.86 KMT2A (0.42) ELANETAAR1KMT2ATDP1SMN1; SMN2
SCHEMBL637841 0.86 KMT2A (0.40) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL2231583 0.84 KMT2A (0.41) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL916412 0.84 KMT2A (0.43) ELANETAAR1KMT2ATDP1SMN1; SMN2
SCHEMBL917276 0.83 TAAR1 (0.45) TAAR1KMT2ATDP1ALDH1A1LMNA
SCHEMBL2231640 0.83 TAAR1 (0.44) TAAR1KMT2ATDP1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed